This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • README.md: README file
  • zinc.can: SMILES strings of AMONs unique to ZINC
  • gdb17.can: SMILES strings of AMONs unique to GDB17
  • gdb17-zinc-comm.can: SMILES strings of AMONs shared by ZINC & GDB17 
  • zinc.tar.gz: json files containing geometry and properties for all ZINC AMONs
  • gdb17.tar.gz: json files containing geometry and properties for all GDB17 AMONs